4298-0748 Screening compound: butyl 3-methyl-2-(4-methylbenzenesulfonamido)butanoate

4298-0748 Screening compound: butyl 3-methyl-2-(4-methylbenzenesulfonamido)butanoate
4298-0748 Screening compound: butyl 3-methyl-2-(4-methylbenzenesulfonamido)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4298-0748
butyl 3-methyl-2-(4-methylbenzenesulfonamido)butanoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4298-0748

Molecular Formula

C16H25NO4S (C16 H25 NO4 S)

Compound Name

butyl 3-methyl-2-(4-methylbenzenesulfonamido)butanoate

IUPAC name

butyl 3-methyl-2-(4-methylbenzenesulfonamido)butanoate

SMILES

CCCCOC(C(C(C)C)NS(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C16H25NO4S/c1-5-6-11-21-16(18)15(12(2)3)17-22(19,20)14-9-7-13(4)8-10-14/h7-10,12,15,17H,5-6,11H2,1-4H3/t15-/m0/s1

InChI Key

SQZMBOMROCXZCL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01898072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.191

Distribution Coefficient, logD

4.191

Water Solubility, LogSw

-4.01

Polar Surface Area

62.882

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-5.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

References: we are preparing a list of scientific research reports with 4298-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4298-0748?
Check Price and Availability of 4298-0748, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4298-0748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4298-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4298-0748
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4298-0748 available by request